Improve prediction accuracy
Data, descriptors, and algorithms all play critical roles in machine learning and must be carefully optimized to maximize prediction accuracy.
Chemical Services - AI and Machine Learning Solutions
We provide data, insights, and technologies needed to accelerate drug discovery, drive materials innovation and find better starting places.
We provide data, insights, and technologies needed to accelerate drug discovery, drive materials innovation and find better starting places.
Discover new chemistry
Models cannot predict what they haven’t seen. Data diversity and representation, even in sparsely populated subspaces, enable more novel predictions.
Find more viable starting places
Identify more promising leads and targets to reduce the need for unnecessary trials and experiments required to improve R&D efficiency.
Molecular representation is the most important part of AI. If you get it wrong, you are lost from the beginning. It's even more important than the algorithm.
Resources
Quality data influences machine learning
Curated data improves AI
